tert-butyl 5-amino-1,3-dihydroisoindole-2-carboxylate


Chemical Name: tert-butyl 5-amino-1,3-dihydroisoindole-2-carboxylate
CAS Number: 264916-06-5
Product Number: AG002TGA(AGN-PC-03RQV3)
Synonyms:
MDL No:
Molecular Formula: C13H18N2O2
Molecular Weight: 234.2942

Identification/Properties


Computed Properties
Molecular Weight:
234.299g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
234.137g/mol
Monoisotopic Mass:
234.137g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
298
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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